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Information card for entry 7159905
Preview
| Coordinates | 7159905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H15 Cl O2 |
|---|---|
| Calculated formula | C25 H15 Cl O2 |
| Title of publication | BBr3-Mediated Dearomatizative Spirocyclization of Biaryl Ynones: Facile Access to Spiro[5.5]dienones |
| Authors of publication | Jaiswal, Gaurav; Pan, Subhas Chandra |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 16.591 ± 0.01 Å |
| b | 7.19 ± 0.004 Å |
| c | 15.695 ± 0.009 Å |
| α | 90° |
| β | 93.373 ± 0.017° |
| γ | 90° |
| Cell volume | 1869 ± 1.9 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291245 (current) | 2024-04-17 | cif/ Adding structures of 7159905 via cif-deposit CGI script. |
7159905.cif |
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Users of the data should acknowledge the original authors of the
structural data.